2-chloranyl-3-[4-(2-methylphenyl)carbonylpiperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(2-methylphenyl)carbonylpiperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-(2-methylbenzoyl)piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-(2-methylbenzoyl)piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-(4-o-toluoylpiperazino)-1,4-naphthoquinone Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H19ClN2O3/c1-14-6-2-3-7-15(14)22(28)25-12-10-24(11-13-25)19-18(23)20(26)16-8-4-5-9-17(16)21(19)27/h2-9H,10-13H2,1H3